adh008.bs
322
O   35.81500  45.74600   7.21800     2
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C   34.64300  47.64900   8.07700     2     4     5
O   33.50600  47.54500   7.24300     3     8
C   34.26700  46.81400   9.29800     3     6     7
O   35.08900  47.21200  10.38800     5    20
C   32.76600  47.06900   9.43800     5     8
C   32.35100  47.09900   7.97400     4     7     9
N   31.93600  45.79300   7.46900     8    10    19
C   32.64100  44.88500   6.74600     9    11
N   31.97000  43.80800   6.41100    10    12
C   30.69500  44.03700   6.97000    11    13    19
C   29.50100  43.25900   6.97700    12    14    15
O   29.32300  42.13400   6.47000    13
N   28.42400  43.80800   7.61700    13    16
C   28.54500  45.02300   8.21000    15    17    18
N   27.43800  45.45100   8.85000    16
N   29.61300  45.81500   8.24900    16    19
C   30.66900  45.25200   7.61900     9    12    18
P   35.30900  46.28600  11.71700     6    21    22    23
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O   31.25200  46.19100  12.12800    25    30
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O   28.29400  43.36200  11.50800    32
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C   30.85900  41.92700   9.61500    34    36    37
N   31.10100  40.88400   8.82000    35
C   31.94400  42.79200   9.92000    35    38
C   31.70700  43.80800  10.77900    31    37
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O   32.45000  44.66900  17.81500    39
O   31.15300  42.96900  16.52600    39    43
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C   28.87400  42.47600  17.03800    43    45    46
O   28.43300  42.38900  15.69900    44    49
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O   29.40100  40.79800  18.75500    46    58
C   28.21600  40.24800  16.72000    46    49
C   28.07800  41.01000  15.42600    45    48    50
N   28.96900  40.44300  14.39400    49    51    57
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O   27.39500  38.87700  14.02300    51
N   29.27200  38.83900  12.70600    51    54
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N   31.16600  38.85100  11.37500    54
C   30.95400  40.50400  13.09500    54    57
C   30.16700  40.99700  14.05700    50    56
P   29.57900  39.40900  19.46900    47    59    60    61
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O   28.99500  39.57800  20.95500    58
O   28.67000  38.28100  18.91800    58    62
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O   27.02700  36.78800  17.12600    63    68
C   27.94000  35.59000  18.88800    63    66    67
O   27.63700  34.96800  20.14300    65    77
C   27.77900  34.67400  17.69000    65    68
C   27.47200  35.58200  16.52100    64    67    69
N   28.70100  35.77600  15.73600    68    70    76
C   29.00800  34.82100  14.77800    69    71    72
O   28.27300  33.84700  14.59100    70
N   30.15000  34.95500  14.02800    70    73
C   30.97100  36.01400  14.19800    72    74    75
N   32.09100  36.10100  13.45900    73
C   30.64300  36.99600  15.19200    73    76
C   29.51400  36.86200  15.91500    69    75
P   28.57100  33.82100  20.68000    66    78    79    80
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O   27.96100  33.40600  22.03600    77
O   28.35000  32.54100  19.70800    77    81
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C   28.67000  30.49100  18.49200    81    83    84
O   28.75700  31.36500  17.38500    82    87
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O   29.74700  28.45000  19.12900    84    99
C   29.60000  29.24600  16.73200    84    87
C   29.35800  30.65600  16.26700    83    86    88
N   30.59900  31.35200  15.86400    87    89    98
C   31.21400  32.43800  16.38000    88    90
N   32.27700  32.79600  15.72800    89    91
C   32.40700  31.83600  14.72400    90    92    98
C   33.35400  31.63700  13.68300    91    93    94
O   34.34900  32.32900  13.48600    92
N   33.14200  30.56500  12.84400    92    95
C   32.07400  29.75200  13.02100    94    96    97
N   31.91000  28.72200  12.16500    95
N   31.13600  29.88600  13.97400    95    98
C   31.37400  30.95000  14.78800    88    91    97
P   30.87600  27.44600  19.70800    85   100   101   102
O   31.88400  28.22900  20.27900    99
O   30.07600  26.52100  20.65500    99
O   31.03600  26.66800  18.35700    99   103
C   30.15400  25.63900  17.82000   102   104
C   30.83300  25.22300  16.53300   103   105   106
O   30.95800  26.35200  15.69400   104   109
C   32.26400  24.73000  16.67300   104   107   108
O   32.36000  23.37200  17.11100   106   121
C   32.80100  24.91200  15.25600   106   109
C   32.13900  26.22200  14.88200   105   108   110
N   33.08600  27.29900  15.13300   109   111   120
C   32.98200  28.32400  16.03600   110   112
N   33.97700  29.15900  15.98900   111   113
C   34.79000  28.67000  14.95300   112   114   120
C   36.01900  29.12500  14.43100   113   115   116
O   36.68000  30.08900  14.80500   114
N   36.46000  28.42400  13.34100   114   117
C   35.82000  27.31200  12.85900   116   118   119
N   36.40800  26.66400  11.85000   117
N   34.71200  26.81100  13.38000   117   120
C   34.25400  27.52900  14.42600   110   113   119
P   33.62300  22.91000  18.02400   107   122   123   124
O   34.12400  24.03800  18.93500   121
O   33.12900  21.59000  18.48500   121
O   34.86400  22.84000  16.97100   121   125
C   34.71700  21.75000  16.02800   124   126
C   35.85400  21.93200  15.03900   125   127   128
O   35.72900  23.23000  14.46800   126   131
C   37.27300  21.85400  15.59500   126   129   130
O   37.73600  20.54800  15.82400   128   143
C   38.06000  22.54200  14.46600   128   131
C   37.09100  23.62700  14.15100   127   130   132
N   37.31200  24.84700  14.95100   131   133   142
C   36.54600  25.42200  15.93300   132   134
N   37.02600  26.56400  16.38000   133   135
C   38.18500  26.73300  15.61800   134   136   142
C   39.15400  27.77500  15.55600   135   137   138
O   39.18500  28.80500  16.27500   136
N   40.13200  27.54600  14.62600   136   139
C   40.20100  26.46000  13.83800   138   140   141
N   41.24300  26.35200  13.00900   139
N   39.32300  25.46100  13.82600   139   142
C   38.35400  25.68600  14.72400   132   135   141
P   38.88600  19.93000  16.66600   129   144   145   146
O   38.56600  20.51800  17.95800   143
O   38.67400  18.46800  16.51300   143
O   40.28300  20.31900  16.12400   143   147
C   40.46500  20.11100  14.69700   146   148
C   41.71500  20.79900  14.19300   147   149   150
O   41.74900  22.19200  14.32800   148   153
C   43.01600  20.40100  14.91400   148   151   152
O   44.01600  20.45300  13.88000   150
C   43.07300  21.38700  16.07800   150   153
C   42.64000  22.66700  15.34400   149   152   154
N   42.03900  23.69700  16.24500   153   155   161
C   42.70500  24.92100  16.23300   154   156   157
O   43.72600  25.15000  15.57300   155
N   42.22900  25.94600  17.00300   155   158
C   41.14800  25.78600  17.77600   157   159   160
N   40.79800  26.86700  18.47200   158
C   40.43400  24.56600  17.76800   158   161
C   40.91400  23.58900  17.00300   154   160
O   45.74600  35.81500  17.39200   163
C   47.18100  35.90600  17.22200   162   164
C   47.64900  34.64300  16.53300   163   165   166
O   47.54500  33.50600  17.36700   164   169
C   46.81400  34.26700  15.31200   164   167   168
O   47.21200  35.08900  14.22200   166   181
C   47.06900  32.76600  15.17200   166   169
C   47.09900  32.35100  16.63600   165   168   170
N   45.79300  31.93600  17.14100   169   171   180
C   44.88500  32.64100  17.86400   170   172
N   43.80800  31.97000  18.19900   171   173
C   44.03700  30.69500  17.64000   172   174   180
C   43.25900  29.50100  17.63300   173   175   176
O   42.13400  29.32300  18.14000   174
N   43.80800  28.42400  16.99300   174   177
C   45.02300  28.54500  16.40000   176   178   179
N   45.45100  27.43800  15.76000   177
N   45.81500  29.61300  16.36100   177   180
C   45.25200  30.66900  16.99100   170   173   179
P   46.28600  35.30900  12.89300   167   182   183   184
O   44.94500  35.78900  13.44000   181
O   47.10800  36.21300  12.11800   181
O   45.91900  33.89100  12.22900   181   185
C   46.86100  33.26400  11.31300   184   186
C   46.46300  31.82800  11.22000   185   187   188
O   46.19100  31.25200  12.48200   186   191
C   45.12700  31.67600  10.48100   186   189   190
O   45.31300  31.95700   9.09600   188   200
C   44.74600  30.24900  10.90000   188   191
C   45.17000  30.23200  12.37100   187   190   192
N   44.04100  30.47400  13.28700   191   193   199
C   43.18500  29.42700  13.58200   192   194   195
O   43.36200  28.29400  13.10200   193
N   42.13000  29.65700  14.42900   193   196
C   41.92700  30.85900  14.99500   195   197   198
N   40.88400  31.10100  15.79000   196
C   42.79200  31.94400  14.69000   196   199
C   43.80800  31.70700  13.83100   192   198
P   44.05400  32.35500   8.18800   189   201   202   203
O   43.41900  33.54000   8.76100   200
O   44.66900  32.45000   6.79500   200
O   42.96900  31.15300   8.08400   200   204
C   43.53500  29.94600   7.48400   203   205
C   42.47600  28.87400   7.57200   204   206   207
O   42.38900  28.43300   8.91100   205   210
C   41.06600  29.32800   7.24500   205   208   209
O   40.79800  29.40100   5.85500   207   219
C   40.24800  28.21600   7.89000   207   210
C   41.01000  28.07800   9.18400   206   209   211
N   40.44300  28.96900  10.21600   210   212   218
C   39.33200  28.48900  10.88700   211   213   214
O   38.87700  27.39500  10.58700   212
N   38.83900  29.27200  11.90400   212   215
C   39.38300  30.47400  12.22600   214   216   217
N   38.85100  31.16600  13.23500   215
C   40.50400  30.95400  11.51500   215   218
C   40.99700  30.16700  10.55300   211   217
P   39.40900  29.57900   5.14100   208   220   221   222
O   39.39600  31.01500   5.03000   219
O   39.57800  28.99500   3.65500   219
O   38.28100  28.67000   5.69200   219   223
C   38.01700  27.29900   5.36300   222   224
C   36.70200  26.96600   6.07100   223   225   226
O   36.78800  27.02700   7.48400   224   229
C   35.59000  27.94000   5.72200   224   227   228
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C   34.67400  27.77900   6.92000   226   229
C   35.58200  27.47200   8.08900   225   228   230
N   35.77600  28.70100   8.87400   229   231   237
C   34.82100  29.00800   9.83200   230   232   233
O   33.84700  28.27300  10.01900   231
N   34.95500  30.15000  10.58200   231   234
C   36.01400  30.97100  10.41200   233   235   236
N   36.10100  32.09100  11.15100   234
C   36.99600  30.64300   9.41800   234   237
C   36.86200  29.51400   8.69500   230   236
P   33.82100  28.57100   3.93000   227   239   240   241
O   34.16700  29.99800   3.85400   238
O   33.40600  27.96100   2.57400   238
O   32.54100  28.35000   4.90200   238   242
C   31.18800  28.79600   4.78900   241   243
C   30.49100  28.67000   6.11800   242   244   245
O   31.36500  28.75700   7.22500   243   248
C   29.52200  29.82500   6.37400   243   246   247
O   28.45000  29.74700   5.48100   245   260
C   29.24600  29.60000   7.87800   245   248
C   30.65600  29.35800   8.34300   244   247   249
N   31.35200  30.59900   8.74600   248   250   259
C   32.43800  31.21400   8.23000   249   251
N   32.79600  32.27700   8.88200   250   252
C   31.83600  32.40700   9.88600   251   253   259
C   31.63700  33.35400  10.92700   252   254   255
O   32.32900  34.34900  11.12400   253
N   30.56500  33.14200  11.76600   253   256
C   29.75200  32.07400  11.58900   255   257   258
N   28.72200  31.91000  12.44500   256
N   29.88600  31.13600  10.63600   256   259
C   30.95000  31.37400   9.82200   249   252   258
P   27.44600  30.87600   4.90200   246   261   262   263
O   28.22900  31.88400   4.33100   260
O   26.52100  30.07600   3.95500   260
O   26.66800  31.03600   6.25300   260   264
C   25.63900  30.15400   6.79000   263   265
C   25.22300  30.83300   8.07700   264   266   267
O   26.35200  30.95800   8.91600   265   270
C   24.73000  32.26400   7.93700   265   268   269
O   23.37200  32.36000   7.49900   267   282
C   24.91200  32.80100   9.35400   267   270
C   26.22200  32.13900   9.72800   266   269   271
N   27.29900  33.08600   9.47700   270   272   281
C   28.32400  32.98200   8.57400   271   273
N   29.15900  33.97700   8.62100   272   274
C   28.67000  34.79000   9.65700   273   275   281
C   29.12500  36.01900  10.17900   274   276   277
O   30.08900  36.68000   9.80500   275
N   28.42400  36.46000  11.26900   275   278
C   27.31200  35.82000  11.75100   277   279   280
N   26.66400  36.40800  12.76000   278
N   26.81100  34.71200  11.23000   278   281
C   27.52900  34.25400  10.18400   271   274   280
P   22.91000  33.62300   6.58600   268   283   284   285
O   24.03800  34.12400   5.67500   282
O   21.59000  33.12900   6.12500   282
O   22.84000  34.86400   7.63900   282   286
C   21.75000  34.71700   8.58200   285   287
C   21.93200  35.85400   9.57100   286   288   289
O   23.23000  35.72900  10.14200   287   292
C   21.85400  37.27300   9.01500   287   290   291
O   20.54800  37.73600   8.78600   289   304
C   22.54200  38.06000  10.14400   289   292
C   23.62700  37.09100  10.45900   288   291   293
N   24.84700  37.31200   9.65900   292   294   303
C   25.42200  36.54600   8.67700   293   295
N   26.56400  37.02600   8.23000   294   296
C   26.73300  38.18500   8.99200   295   297   303
C   27.77500  39.15400   9.05400   296   298   299
O   28.80500  39.18500   8.33500   297
N   27.54600  40.13200   9.98400   297   300
C   26.46000  40.20100  10.77200   299   301   302
N   26.35200  41.24300  11.60100   300
N   25.46100  39.32300  10.78400   300   303
C   25.68600  38.35400   9.88600   293   296   302
P   19.93000  38.88600   7.94400   290   305   306   307
O   20.51800  38.56600   6.65200   304
O   18.46800  38.67400   8.09700   304
O   20.31900  40.28300   8.48600   304   308
C   20.11100  40.46500   9.91300   307   309
C   20.79900  41.71500  10.41700   308   310   311
O   22.19200  41.74900  10.28200   309   314
C   20.40100  43.01600   9.69600   309   312   313
O   20.45300  44.01600  10.73000   311
C   21.38700  43.07300   8.53200   311   314
C   22.66700  42.64000   9.26600   310   313   315
N   23.69700  42.03900   8.36500   314   316   322
C   24.92100  42.70500   8.37700   315   317   318
O   25.15000  43.72600   9.03700   316
N   25.94600  42.22900   7.60700   316   319
C   25.78600  41.14800   6.83400   318   320   321
N   26.86700  40.79800   6.13800   319
C   24.56600  40.43400   6.84200   319   322
C   23.58900  40.91400   7.60700   315   321
